6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine

C16H21N7 — CID 155413687

IUPAC6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(NCC(C)(N)c2ccccc2)nc2c1cnn2C
InChIInChI=1S/C16H21N7/c1-16(17,11-7-5-4-6-8-11)10-19-15-21-13(18-2)12-9-20-23(3)14(12)22-15/h4-9H,10,17H2,1-3H3,(H2,18,19,21,22)
InChIKeyNJKQEGSCWBJSDV-UHFFFAOYSA-N
MW311.39 g/mol
LogP1.69
Rot. Bonds5

About 6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 155413687) has the molecular formula C16H21N7 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID155413687
Molecular FormulaC16H21N7
Molecular Weight311.39 g/mol
Exact Mass311.19
IUPAC Name6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(NCC(C)(N)c2ccccc2)nc2c1cnn2C
InChIInChI=1S/C16H21N7/c1-16(17,11-7-5-4-6-8-11)10-19-15-21-13(18-2)12-9-20-23(3)14(12)22-15/h4-9H,10,17H2,1-3H3,(H2,18,19,21,22)
InChIKeyNJKQEGSCWBJSDV-UHFFFAOYSA-N
XLogP1.69
TPSA93.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 155413687) is 6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine is CNc1nc(NCC(C)(N)c2ccccc2)nc2c1cnn2C.
What is the InChIKey of 6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is NJKQEGSCWBJSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7/c1-16(17,11-7-5-4-6-8-11)10-19-15-21-13(18-2)12-9-20-23(3)14(12)22-15/h4-9H,10,17H2,1-3H3,(H2,18,19,21,22).
What are the key properties of 6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 311.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-amino-2-phenylpropyl)-4-N,1-dimethylpyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 155413687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).